Comparison of thermodynamic properties of simulated liquid silica and water

被引：160

作者：

Poole, PH ^{[1
]}

Hemmati, M ^{[1
]}

Angell, CA ^{[1
]}

机构：

[1] ARIZONA STATE UNIV, DEPT CHEM, TEMPE, AZ 85287 USA

来源：

PHYSICAL REVIEW LETTERS | 1997年 / 79卷 / 12期

关键词：

D O I：

10.1103/PhysRevLett.79.2281

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We conduct extensive molecular dynamics computer simulations of a rigid-ion model of liquid silica [L.V. Woodcock et al., J. Chem. Phys. 65, 1565 (1976)], evaluating thermodynamic and transport properties over a wide range of pressure and temperature. We find numerous similarities with behavior found in simulations of supercooled water, including a line of density maxima that passes through a maximum temperature as a function of pressure, and the emergence as temperature decreases of maxima in isotherms of the isothermal compressibility as a function of density.

引用

页码：2281 / 2284

页数：4

共 47 条

[1]

Allen M. P., 1987, J COMPUTER SIMULATIO, DOI DOI 10.2307/2938686

[2] DENSITY MAXIMA IN HIGH-PRESSURE SUPERCOOLED WATER AND LIQUID SILICON DIOXIDE [J].